Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | CLK1 | P49759 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 5/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13221404 | 0.95 | CLK1 (0.50) | CYP3A4CACNA1BNR1I2CLK1HTR6 | |
| Trifluoroacetic Acid SCHEMBL3035212 | 0.87 | CYP3A4 (0.49) | CYP3A4CACNA1BNR1I2HTR6HTR1A | |
| Trifluoroacetic Acid SCHEMBL3032018 | 0.84 | CYP3A4 (0.47) | CYP3A4CACNA1BNR1I2TRPV1NPY5R | |
| SCHEMBL8043819 | 0.81 | SLC40A1 (0.49) | CYP3A4CACNA1BNR1I2HTR6HTR1A | |
| SCHEMBL3032020 | 0.81 | CYP3A4 (0.46) | CYP3A4CACNA1BNR1I2HTR6DRD2 | |
| Trifluoroacetic Acid SCHEMBL3034909 | 0.78 | KMT2A (0.55) | CYP3A4CACNA1BNR1I2 | |
| Trifluoroacetic Acid SCHEMBL3035440 | 0.78 | CYP3A4 (0.48) | CYP3A4CACNA1BNR1I2HTR6 | |
| SCHEMBL13221408 | 0.78 | CYP3A4 (0.47) | CYP3A4CACNA1BNR1I2HTR6HTR1A | |
| SCHEMBL15103519 | 0.76 | CACNA1B (0.60) | CYP3A4CACNA1BNR1I2 | |
| SCHEMBL3036305 | 0.76 | CACNA1B (0.46) | CYP3A4CACNA1BNR1I2HTR6DRD2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2205083-B1 | Substituted aryl sulfone derivatives as calcium channel blockers | MERCK SHARP & DOHME (US) | 2013-07-17 | — | — | EP | claimed |
| US-20100210620-A1 | Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers | SCHERING CORPORATION | 2010-08-19 | — | — | US | claimed |
| EP-2205083-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck Sharp & Dohme Corp. (US) | 2010-07-14 | — | — | EP | claimed |
| WO-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | claimed |
| EP-2205083-B1 | Substituted aryl sulfone derivatives as calcium channel blockers | MERCK SHARP & DOHME (US) | 2013-07-17 | — | — | EP | disclosed |
| US-20130040932-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | NEUROMED PHARMACEUTICALS LTD. (CA) | 2013-02-14 | — | — | US | disclosed |
| US-8304434-B2 | Substituted aryl sulfone derivatives as calcium channel blockers | MERCK SHARP & DOHME CORP. (US) | 2012-11-06 | — | — | US | disclosed |
| US-20100210620-A1 | Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers | SCHERING CORPORATION | 2010-08-19 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100210620-A1 | Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers | TRPV1, TRPA1, CACNA1D | CYP3A4 939/4885CACNA1B 23/4885NR1I2 765/4885 |
| US-20130040932-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | TRPV1, TRPA1, CACNA1D | CYP3A4 939/4885CACNA1B 23/4885NR1I2 765/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.